CID 60874325

1178438-59-9

Structural Information

Molecular Formula
C10H11BrClN
SMILES
C=C(CNCC1=CC=C(C=C1)Cl)Br
InChI
InChI=1S/C10H11BrClN/c1-8(11)6-13-7-9-2-4-10(12)5-3-9/h2-5,13H,1,6-7H2
InChIKey
BREWGQVJPIVGRM-UHFFFAOYSA-N
Compound name
2-bromo-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.97635 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98363 148.1
[M+Na]+ 281.96557 159.3
[M-H]- 257.96907 154.0
[M+NH4]+ 277.01017 169.2
[M+K]+ 297.93951 145.5
[M+H-H2O]+ 241.97361 148.5
[M+HCOO]- 303.97455 165.5
[M+CH3COO]- 317.99020 193.8
[M+Na-2H]- 279.95102 154.6
[M]+ 258.97580 167.1
[M]- 258.97690 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.